SCHEMBL13641041

SCHEMBL13641041

Cc1ccnc(N(C)c2cnc3ccccc3n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 7/20 0.44
▸ NPC1 O15118 7/20 0.44
▸ SMN1; SMN2 Q16637 7/20 0.44
▸ KDM4E B2RXH2 5/20 0.44
▸ MAPT P10636 5/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ GAA P10253 3/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ KMT2A Q03164 5/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ MEN1 O00255 4/20 0.41
▸ HTT P42858 2/20 0.41
▸ ATM Q13315 2/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ NQO2 P16083 1/20 0.40
▸ NOS3 P29474 1/20 0.37
▸ NOS1 P29475 1/20 0.37
▸ NOS2 P35228 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL13557884 0.81 RAB9A (0.48) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL13557874 0.77 RAB9A (0.50) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL21241166 0.74 UHRF1 (0.42) RAB9ANPC1SMN1; SMN2KDM4EKMT2A
SCHEMBL13557867 0.74 KDM4E (0.47) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL7048629 0.73 NCF1 (0.55) RAB9ANPC1SMN1; SMN2KDM4EMAPT
Hydrochloric Acid SCHEMBL28590788 0.71 NCF1 (0.53) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL5435508 0.70 RAB9A (0.49) RAB9ANPC1SMN1; SMN2KDM4EMAPT
SCHEMBL30033429 0.69 KDR (0.57) RAB9ANPC1SMN1; SMN2KDM4EGAA
SCHEMBL1702057 0.69 KDR (0.57) RAB9ANPC1SMN1; SMN2KDM4EGAA
SCHEMBL426823 0.68 UHRF1 (0.52) RAB9ANPC1SMN1; SMN2KDM4EL3MBTL1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10017498-B2 Compounds useful for treating AIDS ABIVAX (FR) 2018-07-10 — — US disclosed
US-9908869-B2 Compounds useful for treating aids ABIVAX (FR) 2018-03-06 — — US disclosed
US-9827237-B2 Compounds useful for treating diseases caused by retroviruses ABIVAX (FR) 2017-11-28 — — US disclosed
US-20170226095-A1 COMPOUNDS FOR PREVENTING, INHIBITING, OR TREATING CANCER, AIDS AND/OR PREMATURE AGING ABIVAX (FR) 2017-08-10 — — US disclosed
US-20160151348-A1 COMPOUNDS USEFUL FOR TREATING DISEASES CAUSED BY RETROVIRUSES ABIVAX (FR) 2016-06-02 — — US disclosed
US-20150307478-A1 COMPOUNDS USEFUL FOR TREATING AIDS UNIVERSITE DE MONTPELLIER (FR) 2015-10-29 — — US disclosed
US-9145367-B2 Compounds useful for treating AIDS ABIVAX (FR) 2015-09-29 — — US disclosed
US-20140288120-A1 COMPOUNDS USEFUL FOR TREATING AIDS SOCIETE SPLICOS (FR) 2014-09-25 — — US disclosed
US-20120283265-A1 COMPOUNDS USEFUL FOR TREATING AIDS SOCIETE SPLICOS (FR) 2012-11-08 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170226095-A1 COMPOUNDS FOR PREVENTING, INHIBITING, OR TREATING CANCER, AIDS AND/OR PREMATURE AGING RCOR1, NR3C1, NR5A1 RAB9A 2148/4885NPC1 80/4885SMN1; SMN2 3125/4885
US-10017498-B2 Compounds useful for treating AIDS NR1H3, NR1H2, NR1H4 RAB9A 1953/4885NPC1 7/4885SMN1; SMN2 4057/4885
US-20120283265-A1 COMPOUNDS USEFUL FOR TREATING AIDS CBR1, CNR1, CBR3 RAB9A 4149/4885NPC1 45/4885SMN1; SMN2 4559/4885
US-20140288120-A1 COMPOUNDS USEFUL FOR TREATING AIDS NR1H3, NR3C1, NR3C2 RAB9A 2393/4885NPC1 45/4885SMN1; SMN2 4183/4885
US-20150307478-A1 COMPOUNDS USEFUL FOR TREATING AIDS NR1H3, NR1H2, NR1H4 RAB9A 1953/4885NPC1 7/4885SMN1; SMN2 4057/4885
US-20160151348-A1 COMPOUNDS USEFUL FOR TREATING DISEASES CAUSED BY RETROVIRUSES RCOR1, CBR1, RCOR3 RAB9A 3396/4885NPC1 126/4885SMN1; SMN2 2094/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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